CID 154834009

N-(4-{2-[(6-chloropyridin-3-yl)amino]-1,3-thiazol-4-yl}phenyl)methanesulfonamide hydrochloride

Structural Information

Molecular Formula
C15H13ClN4O2S2
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CN=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN4O2S2/c1-24(21,22)20-11-4-2-10(3-5-11)13-9-23-15(19-13)18-12-6-7-14(16)17-8-12/h2-9,20H,1H3,(H,18,19)
InChIKey
PVNLBNZIROOTQY-UHFFFAOYSA-N
Compound name
N-[4-[2-[(6-chloropyridin-3-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.01685 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.02413 183.3
[M+Na]+ 403.00607 193.7
[M-H]- 379.00957 191.4
[M+NH4]+ 398.05067 195.5
[M+K]+ 418.98001 185.6
[M+H-H2O]+ 363.01411 176.0
[M+HCOO]- 425.01505 193.3
[M+CH3COO]- 439.03070 193.7
[M+Na-2H]- 400.99152 186.1
[M]+ 380.01630 187.8
[M]- 380.01740 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.